2-amino-3-pyridin-3-ylpropanal;N-methyl-1,7-diphenylheptan-4-amine

C28H37N3O — CID 142138157

IUPAC2-amino-3-pyridin-3-ylpropanal;N-methyl-1,7-diphenylheptan-4-amine
SMILESCNC(CCCc1ccccc1)CCCc1ccccc1.NC(C=O)Cc1cccnc1
InChIInChI=1S/C20H27N.C8H10N2O/c1-21-20(16-8-14-18-10-4-2-5-11-18)17-9-15-19-12-6-3-7-13-19;9-8(6-11)4-7-2-1-3-10-5-7/h2-7,10-13,20-21H,8-9,14-17H2,1H3;1-3,5-6,8H,4,9H2
InChIKeyLSCZNLYZWRWZJB-UHFFFAOYSA-N
MW431.62 g/mol
LogP4.77
Rot. Bonds12

About 2-amino-3-pyridin-3-ylpropanal;N-methyl-1,7-diphenylheptan-4-amine

2-amino-3-pyridin-3-ylpropanal;N-methyl-1,7-diphenylheptan-4-amine (PubChem CID 142138157) has the molecular formula C28H37N3O and a molecular weight of 431.62 g/mol. Its IUPAC name is 2-amino-3-pyridin-3-ylpropanal;N-methyl-1,7-diphenylheptan-4-amine.

Molecular Properties

Compound Name2-amino-3-pyridin-3-ylpropanal;N-methyl-1,7-diphenylheptan-4-amine
PubChem CID142138157
Molecular FormulaC28H37N3O
Molecular Weight431.62 g/mol
Exact Mass431.29
IUPAC Name2-amino-3-pyridin-3-ylpropanal;N-methyl-1,7-diphenylheptan-4-amine
SMILESCNC(CCCc1ccccc1)CCCc1ccccc1.NC(C=O)Cc1cccnc1
InChIInChI=1S/C20H27N.C8H10N2O/c1-21-20(16-8-14-18-10-4-2-5-11-18)17-9-15-19-12-6-3-7-13-19;9-8(6-11)4-7-2-1-3-10-5-7/h2-7,10-13,20-21H,8-9,14-17H2,1H3;1-3,5-6,8H,4,9H2
InChIKeyLSCZNLYZWRWZJB-UHFFFAOYSA-N
XLogP4.77
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds12
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.62
LogP ≤ 54.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

N-methyl-5-phenyl-1-pyridin-3-ylpentan-2-amine
CID 62604554
N-methyl-6-phenyl-1-pyridin-3-ylhexan-3-amine
CID 105139816
2-amino-N-(1,7-diphenylheptan-4-yl)-3-pyridin-3-ylpropanamide
CID 18727468
N-methyl-1-pyridin-3-yldodecan-2-amine
CID 63416247
N-methyl-1-pyridin-3-ylbutan-2-amine
CID 62552734
[1-(3-chloro-4-pyridinyl)-5-phenylpentan-2-yl]hydrazine
CID 105314808
N-methyl-4-methylsulfonyl-1-pyridin-3-ylbutan-2-amine
CID 62604364
N-methyl-1-pyridin-3-ylhept-6-en-3-amine
CID 105153411
1-pyridin-3-ylheptan-4-ylcarbamic acid
CID 22155280
(1-amino-2-pyridin-3-ylethyl) formate
CID 174641191
1-methoxy-N-methyl-6-phenylhexan-3-amine
CID 62605190
N,4-dimethyl-1-pyridin-3-ylpent-4-en-2-amine
CID 79180331

Frequently Asked Questions

What is the IUPAC name of 2-amino-3-pyridin-3-ylpropanal;N-methyl-1,7-diphenylheptan-4-amine?
The IUPAC name of 2-amino-3-pyridin-3-ylpropanal;N-methyl-1,7-diphenylheptan-4-amine (CID 142138157) is 2-amino-3-pyridin-3-ylpropanal;N-methyl-1,7-diphenylheptan-4-amine.
What is the SMILES notation for 2-amino-3-pyridin-3-ylpropanal;N-methyl-1,7-diphenylheptan-4-amine?
The canonical SMILES for 2-amino-3-pyridin-3-ylpropanal;N-methyl-1,7-diphenylheptan-4-amine is CNC(CCCc1ccccc1)CCCc1ccccc1.NC(C=O)Cc1cccnc1.
What is the InChIKey of 2-amino-3-pyridin-3-ylpropanal;N-methyl-1,7-diphenylheptan-4-amine?
The InChIKey is LSCZNLYZWRWZJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N.C8H10N2O/c1-21-20(16-8-14-18-10-4-2-5-11-18)17-9-15-19-12-6-3-7-13-19;9-8(6-11)4-7-2-1-3-10-5-7/h2-7,10-13,20-21H,8-9,14-17H2,1H3;1-3,5-6,8H,4,9H2.
What are the key properties of 2-amino-3-pyridin-3-ylpropanal;N-methyl-1,7-diphenylheptan-4-amine?
2-amino-3-pyridin-3-ylpropanal;N-methyl-1,7-diphenylheptan-4-amine has a molecular weight of 431.62 g/mol, XLogP of 4.77, 12 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-pyridin-3-ylpropanal;N-methyl-1,7-diphenylheptan-4-amine is sourced from PubChem (CID 142138157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).